CID 146346770

Ant3310 sodium

Structural Information

Molecular Formula
C6H9FN2O5S
SMILES
C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)F
InChI
InChI=1S/C6H9FN2O5S/c7-5-2-1-4-3-8(5)6(10)9(4)14-15(11,12)13/h4-5H,1-3H2,(H,11,12,13)/t4-,5+/m1/s1
InChIKey
GCKKZLXJSUOGES-UHNVWZDZSA-N
Compound name
[(2R,5R)-2-fluoro-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

240.02162 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02890 145.7
[M+Na]+ 263.01084 154.9
[M-H]- 239.01434 143.6
[M+NH4]+ 258.05544 164.0
[M+K]+ 278.98478 153.2
[M+H-H2O]+ 223.01888 140.6
[M+HCOO]- 285.01982 155.6
[M+CH3COO]- 299.03547 183.8
[M+Na-2H]- 260.99629 148.9
[M]+ 240.02107 146.9
[M]- 240.02217 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe